On the simulated scaling based free energy simulations: Adaptive optimization of the scaling parameter intervals

Journal of Chemical Physics

Volumn 129, Issue 12, 2008, Pages

  Zheng, Lianqing ^a   Yang, Wei ^a,b  

^a FLORIDA STATE UNIVERSITY   (United States)

^b NANKAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADAPTIVE ALGORITHMS; LITHIUM; METHANE; NUMERICAL ANALYSIS; OPTIMIZATION; PARAMETER ESTIMATION;

ADAPTIVE OPTIMIZATION; CHEMICAL STATES; CHLORIDE IONS; ENERGY VALUES; FREE ENERGY SIMULATIONS; MODEL STUDIES; RANDOM WALKS; SCALING PARAMETERS;

FREE ENERGY;

CHLORIDE; METHANE; SOLVENT;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; THERMODYNAMICS; TIME;

ALGORITHMS; CHLORIDES; COMPUTER SIMULATION; DIFFUSION; METHANE; MODELS, CHEMICAL; SOLVENTS; THERMODYNAMICS; TIME FACTORS;

EID: 52949132972     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2982161     Document Type: Article

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